CHEBI:203163 - (7beta)-7,29-dihydroxysoyasapogenol B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (7beta)-7,29-dihydroxysoyasapogenol B
ChEBI ID CHEBI:203163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O5
Net Charge 0
Average Mass 490.725
Monoisotopic Mass 490.36582
InChI InChI=1S/C30H50O5/c1-25(16-31)14-19-18-7-8-20-27(3)10-9-22(33)28(4,17-32)21(27)13-23(34)30(20,6)29(18,5)12-11-26(19,2)24(35)15-25/h7,19-24,31-35H,8-17H2,1-6H3/t19-,20+,21+,22-,23-,24+,25-,26+,27+,28+,29+,30-/m0/s1
InChIKey HFGFIRVGLTVCJV-JSSCJGPGSA-N
SMILES O[C@H]1[C@]2([C@H](C3=CC[C@@H]4[C@@]5([C@H]([C@]([C@@H](O)CC5)(CO)C)C[C@@H]([C@]4([C@]3(C)CC2)C)O)C)C[C@@](C1)(CO)C)C
Metabolite of Species Details
Neopestalotiopsis clavispora (NCBI:txid289240) See: DOI
ChEBI Ontology
Outgoing (7beta)-7,29-dihydroxysoyasapogenol B (CHEBI:203163) is a triterpenoid (CHEBI:36615)
IUPAC Name
(3S,4S,4aR,6S,6aR,6bR,8aR,9R,11S,12aS,14aR,14bR)-4,11-bis(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,6,9-triol
Manual Xref Database
28185127 ChemSpider
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